L-페니실아민

(+-)-Penicillamine

HCID 4727CAS 1113-41-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(S)C(N)C(=O)O
InChIKey
VVNCNSJFMMFHPL-UHFFFAOYSA-N
분자식
C5H11NO2S
평균 분자량
149.21 g/mol
단동위원소 질량
149.05104977

이름 및 식별자

우선 이름
(+-)-Penicillamine
IUPAC
2-amino-3-methyl-3-sulfanylbutanoic acid
현지명
L-페니실아민
영어명
L-Penicillamine
분자식
C5H11NO2S
분자량
149.21

이름 및 동의어

DL-Penicillamine52-66-4(+-)-PenicillamineValine, 3-mercapto-2XOP7Y1H98RefChem:10490432-Amino-3-mercapto-3-methylbutanoic acid3-SulfanylvalineDL-beta-Mercaptovalinebeta-Mercaptovaline2-amino-3-methyl-3-sulfanylbutanoic acid3,3-Dimethyl-DL-cysteine
이름 더 보기
L-페니실아민L-페니실라민H-PEN-OHl-valinL-Pen-OH3-MERCAPTO-L-VALINE3,3-DIMETHYL-L-CYSTEINE(2R)-2-amino-3-methyl-3-sulfanylbutanoic acidL-(+)-B2NSC 2412613-Mercapto-3-THIOL-VALINE
2-Amino-3-mercapto-3-methylbutyric acid3-MercaptovalineMFCD00004856(+/-)-penicillaminebeta-ThiovalineD-PenicyllamineDL-Valine, 3-mercapto-2-amino-3-methyl-3-sulfanyl-butanoic acid

데이터베이스 식별자

CAS
1113-41-3、25526-04-9、52-66-4、52-67-5
PubChem CID
4727
DTXSID
DTXSID7044687
ChEMBL
CHEMBL13239
ChEBI
CHEBI:50868
UNII
2XOP7Y1H98
EC Number
200-147-2
Nikkaji
J60.801G

물성

구조 계산 물성

XLogP
-1.8
극성 표면적
64.3 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
9

실험 및 물리화학적 성질

LogP-1.9
Solubility4.65e+00 g/L
Melting Point198.5 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
206 °C · 206 °C (dec.)(lit.)
끓는 점
251.8 · 251.8±35.0 °C(Predicted)
밀도
1.113 · 1.113 (estimate)
굴절률
63 ° · 63 ° (C=1, 1mol/L NaOH)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
수성 염기(소량으로 용해), DMSO(약간 용해됨, 가열), 물(약간 용해됨)

화학적 성질

white to almost white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk
2
rtecs
YV9445500
독성
LD50 i.p. in rats: 350 mg/kg (Jaffe)
HS 번호
29309090
risk_code
36/37/38-40-20/21/22
hazard_code
Xi,Xn

화학 및 산업

약리 정보

Cellular LocationsMembrane

응용 분야

용도As a Penicillin metabolite, L-Penicillamine can be used in the treatment of Wilson’s disease, Cystinuria, Scleroderma and arsenic poisoning.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

추가 설명

정의ChEBI: The L-enantiomer of penicillamine.

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